2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide

C19H14FN3O2S — CID 52941877

IUPAC2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C19H14FN3O2S/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(26(21,24)25)11-18(17)23-19/h1-11H,(H,22,23)(H2,21,24,25)
InChIKeyBITOVZIDEAIQGL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.68
Rot. Bonds3

About 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide

2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 52941877) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide
PubChem CID52941877
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1
InChIInChI=1S/C19H14FN3O2S/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(26(21,24)25)11-18(17)23-19/h1-11H,(H,22,23)(H2,21,24,25)
InChIKeyBITOVZIDEAIQGL-UHFFFAOYSA-N
XLogP3.68
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
CID 66841194
6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 52940686
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1H-benzimidazole-5-carboxamide
CID 122690335
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
2-[4-(2-fluorophenyl)cyclohexa-1,3-dien-1-yl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 70962446
2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 88909989
3-fluoro-4-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 107793623
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide (CID 52941877) is 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide is NS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4F)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is BITOVZIDEAIQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-16-4-2-1-3-15(16)12-5-7-13(8-6-12)19-22-17-10-9-14(26(21,24)25)11-18(17)23-19/h1-11H,(H,22,23)(H2,21,24,25).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide?
2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 367.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 52941877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).